UNPD93514
AlkaPlorer ID: AK268042
Synonym: None
IUPAC Name: [(1S,2R,3S,4Z,5R)-4-(cyanomethylidene)-2,3-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] 3-methylbut-2-enoate
Structure
SMILES: CC(C)=CC(=O)O[C@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C\C#N)[C@H](O)[C@H]1O
InChI: InChI=1S/C19H27NO10/c1-8(2)5-13(22)28-11-6-10(9(3-4-20)14(23)15(11)24)29-19-18(27)17(26)16(25)12(7-21)30-19/h3,5,10-12,14-19,21,23-27H,6-7H2,1-2H3/b9-3+/t10-,11+,12-,14+,15+,16-,17+,18-,19-/m1/s1
InChIKey: KACVHHBXBVTKMS-KCIKBKOHSA-N
Reference
Nitrile glucosides and rosmarinic acid, the histamine inhibitor from Ehretia philippinensis
PubChem CID: 10071288
LOTUS: LTS0097953
SuperNatural Ⅲ: SN0180070-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ehretia philippinensis | Ehretia | Ehretiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 429.4220000000001
TPSA？: 189.93
MolLogP？: -2.375019999999997
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|